CID 139026596

1620570-06-0

Structural Information

Molecular Formula

C₉H₆ClNO₂

SMILES

C1=CC2=CC(=CN2C(=C1)Cl)C(=O)O

InChI

InChI=1S/C9H6ClNO2/c10-8-3-1-2-7-4-6(9(12)13)5-11(7)8/h1-5H,(H,12,13)

InChIKey

GSTLMKYKSLPFLF-UHFFFAOYSA-N

Compound name

5-chloroindolizine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 195.00871 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.01599	135.4
[M+Na]+	217.99793	147.4
[M-H]-	194.00143	138.3
[M+NH4]+	213.04253	156.9
[M+K]+	233.97187	142.7
[M+H-H2O]+	178.00597	130.5
[M+HCOO]-	240.00691	154.3
[M+CH3COO]-	254.02256	178.6
[M+Na-2H]-	215.98338	141.7
[M]+	195.00816	139.2
[M]-	195.00926	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe